SCHEMBL10000450

SCHEMBL10000450

Cc1cccc(N2C(=O)c3ccc(C#Cc4ccccc4)cc3C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
USP2 O75604 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GAA P10253 2/20 0.48
CASP6 P55212 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
GRM5 P41594 5/20 0.46
ESR1 P03372 2/20 0.46
HSP90AA1 P07900 1/20 0.45
MGLL Q99685 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13433471 0.90 GRM5 (0.51) ALDH1A1MEN1KMT2AGRM5ESR1
SCHEMBL16937189 0.90 GRM5 (0.51) ALDH1A1MEN1KMT2AGRM5ESR1
SCHEMBL20716046 0.87 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGRM5ESR1
SCHEMBL7678431 0.87 ESR1 (0.58) ALDH1A1MEN1KMT2AGRM5ESR1
SCHEMBL2624619 0.86 GRM5 (0.46) ALDH1A1MEN1KMT2AGRM5ESR1
SCHEMBL16927161 0.84 GRM5 (0.54) ALDH1A1MEN1KMT2AGRM5ESR1
SCHEMBL28505830 0.84 ESR1 (0.67) ALDH1A1MEN1KMT2AL3MBTL1USP2
SCHEMBL29842698 0.84 ESR1 (0.67) ALDH1A1MEN1KMT2AL3MBTL1USP2
SCHEMBL6910583 0.84 KMT2A (0.51) MAPK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3447114 0.84 GRM5 (0.46) ALDH1A1MEN1KMT2AGRM5ESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255182-B2 Data storage medium and method for high density data storage INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-02-09 US disclosed
US-8289833-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-10-16 US disclosed
US-20120033539-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed
US-20080175135-A1 DATA STORAGE MEDIUM AND METHOD FOR HIGH DENSITY DATA STORAGE DUERIG URS T 2008-07-24 US disclosed
US-20080076903-A1 DATA STORAGE MEDIUM AND METHOD FOR HIGH DENSITY DATA STORAGE INTERNATIONAL BUSINESS MACHINES CORPORATION 2008-03-27 US disclosed